Information card for entry 4102970

Structure parameters

• Formula: C36 H63 Ni P2 Si
• Calculated formula: C36 H63 Ni P2 Si
• SMILES: [Ni]1([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[SiH](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Arrested 1,2-Hydrogen Migration from Silicon to Nickel upon Oxidation of a Three-Coordinate Ni(I) Silyl Complex
• Authors of publication: Vlad M. Iluc; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11890 - 11892
• a: 8.6888 ± 0.0008 Å
• b: 18.7901 ± 0.0017 Å
• c: 22.348 ± 0.002 Å
• α: 90°
• β: 96.061 ± 0.002°
• γ: 90°
• Cell volume: 3628.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No